3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide

C12H24N2O2 — CID 62553215

IUPAC3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9-3-5-12(8-15,6-4-9)14-11(16)7-10(2)13/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyFXFWEHSPDHXVAU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide

3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide (PubChem CID 62553215) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
PubChem CID62553215
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-9-3-5-12(8-15,6-4-9)14-11(16)7-10(2)13/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyFXFWEHSPDHXVAU-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The IUPAC name of 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide (CID 62553215) is 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide is CC(N)CC(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
The InChIKey is FXFWEHSPDHXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-3-5-12(8-15,6-4-9)14-11(16)7-10(2)13/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide?
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide is sourced from PubChem (CID 62553215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).